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| CAS No.: | 25781-92-4 |
|---|---|
| Name: | 5-CHLORO-2-NITRODIPHENYLAMINE |
| Article Data: | 17 |
| Molecular Structure: | |
|
|
|
| Formula: | C12H9ClN2O2 |
| Molecular Weight: | 248.669 |
| Synonyms: | Diphenylamine,5-chloro-2-nitro- (7CI);2-Nitro-5-chlorodiphenylamine;5-Chloro-2-nitro-N-phenylbenzenamine;5-Chloro-2-nitrodiphenylamine; |
| EINECS: | 247-261-9 |
| Density: | 1.387 g/cm3 |
| Melting Point: | 110-114 °C |
| Boiling Point: | 370.414 °C at 760 mmHg |
| Flash Point: | 177.82 °C |
| Appearance: | orange-red fine crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 24/25-26-36 |
| PSA: | 57.85000 |
| LogP: | 4.58800 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
| Conditions | Yield |
|---|---|
| In dimethyl sulfoxide at 110℃; for 4h; | 98% |
| With triethylamine In dimethyl sulfoxide at 20℃; for 43h; | |
| With potassium carbonate In dimethyl sulfoxide at 50℃; | |
| With potassium carbonate In dimethyl sulfoxide at 50℃; |
| Conditions | Yield |
|---|---|
| In ethanol at 20℃; for 10h; Solvent; Temperature; Time; | 90% |
| Conditions | Yield |
|---|---|
| Stage #1: aniline With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.0166667h; Inert atmosphere; Stage #2: 4-chlorobenzonitrile In tetrahydrofuran; hexane at -78 - 110℃; for 0.166667h; Inert atmosphere; Stage #3: With potassium permanganate; ammonia In tetrahydrofuran; hexane at -78℃; for 0.0833333h; Inert atmosphere; | 49% |
- 127-09-3
sodium acetate
- 610-40-2
3,4-dinitro-chlorobenzene
- 62-53-3
aniline
- 25781-92-4
5-chloro-2-nitro-N-phenylaniline
- 610-40-2
3,4-dinitro-chlorobenzene
- 62-53-3
aniline
A
- 25781-92-4
5-chloro-2-nitro-N-phenylaniline
B
- 60-09-3
aniline yellow
| Conditions | Yield |
|---|---|
| anschl. mit HCl; |
- 610-40-2
3,4-dinitro-chlorobenzene
- 62-53-3
aniline
A
- 25781-92-4
5-chloro-2-nitro-N-phenylaniline
B
- 622-37-7
Phenyl azide
| Conditions | Yield |
|---|---|
| With sodium acetate |
- 610-40-2
3,4-dinitro-chlorobenzene
- 25781-92-4
5-chloro-2-nitro-N-phenylaniline
| Conditions | Yield |
|---|---|
| With aniline In ethanol | |
| With aniline In ethanol |
- 25781-92-4
5-chloro-2-nitro-N-phenylaniline
- 149-73-5
trimethyl orthoformate
- 96048-77-0
6-chloro-1-phenyl-1H-benzimidazole
| Conditions | Yield |
|---|---|
| With hydrogen; pyridinium p-toluenesulfonate; palladium on activated charcoal In ethyl acetate at 20℃; under 2585.74 Torr; for 6h; | 100% |
- 25781-92-4
5-chloro-2-nitro-N-phenylaniline
- 68406-47-3
4-chloro-N2-phenylbenzene-1,2-diamine
| Conditions | Yield |
|---|---|
| With hydrogen; platinum In methanol at 75 - 80℃; for 1.5h; Reagent/catalyst; Temperature; Solvent; Autoclave; | 99.2% |
| With hydrogen In tetrahydrofuran; water at 120℃; under 37503.8 Torr; for 15h; chemoselective reaction; | 94% |
| With ammonium chloride; zinc In methanol; water at 25 - 60℃; | 84% |
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Specification
This chemical is called 5-Chloro-2-nitrodiphenylamine, and its CAS registry number is 25781-92-4. With the molecular formula of C12H9ClN2O2, its molecular weight is 248.67. Additionally, this chemical should be sealed in the cool and dry place, away from oxides.
Other characteristics of the 5-Chloro-2-nitrodiphenylamine can be summarised as followings: (1)ACD/LogP: 4.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.35; (4)ACD/LogD (pH 7.4): 4.35; (5)ACD/BCF (pH 5.5): 1192.42; (6)ACD/BCF (pH 7.4): 1192.42; (7)ACD/KOC (pH 5.5): 5542.51; (8)ACD/KOC (pH 7.4): 5542.51; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49.06 Å2; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 67.06 cm3; (15)Molar Volume: 179.2 cm3; (16)Polarizability: 26.58×10-24cm3; (17)Surface Tension: 56.7 dyne/cm; (18)Density: 1.387 g/cm3; (19)Flash Point: 177.8 °C; (20)Enthalpy of Vaporization: 61.73 kJ/mol; (21)Boiling Point: 370.4 °C at 760 mmHg; (22)Vapour Pressure: 1.11E-05 mmHg at 25°C.
Uses of this chemical: The 5-Chloro-2-nitrodiphenylamine could react with 1H-imidazole, and obtain the 4-1H-imidazolyl-2-phenylaminonitrobenzene. This reaction needs the reagents of K2CO3. The yield is 58 %. In addition, this reaction should be taken at the temperature of 100 °C.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing to avoid contacting with skin and eyes. . In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=[N+]([O-])c1c(cc(Cl)cc1)Nc2ccccc2
2.InChI: InChI=1/C12H9ClN2O2/c13-9-6-7-12(15(16)17)11(8-9)14-10-4-2-1-3-5-10/h1-8,14H
3.InChIKey: FPKHZBVGKMTUHB-UHFFFAOYAW